![2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one structure](/static/products/6944/694466-98-3.webp)
2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
TL;DR: 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one (CAS 694466-98-3) is a chemical compound with molecular formula C27H25ClN4O2 and molecular weight 472.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
Also Known As: VU0048161-1, 2-(2-(4-benzylpiperazin-1-yl)-2-oxoethyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one, 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one, 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-4-(4-chlorophenyl)phthalazin-1-one, 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1(2H)-one
| Molecular Formula | C27H25ClN4O2 |
|---|---|
| Molecular Weight | 472.17 g/mol |
| LogP | 4.0613 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.1666 |
| Heavy Atoms | 34 |
| Complexity | 1361.2919 |
Chemical Identifiers
| CAS Number | 694466-98-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl |
Product Overview
2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one (CAS 694466-98-3), with molecular formula C27H25ClN4O2 and molecular weight 472.17 g/mol. IUPAC: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one.
Chemical Property Profile of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
Property Insights of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one
The XLogP value of 4.0613 indicates that 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one?
The CAS number of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one is 694466-98-3.
What is the molecular formula of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one?
The molecular formula of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one is C27H25ClN4O2.
What is the molecular weight of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one?
The molecular weight of 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one is 472.17 g/mol.
Where can I buy 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one?
You can request a quote for 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.